Acetic Acid → 4-(3-chloro-phenylamino)-3-(4-phenyl-benzylamino)-1H-pyrazolo[3,4-d]pyrimidine

HRID 665795Notes

Reaction equation

HRID 665795 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12.[c:19]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:20][cH:21][c:22]([CH:25]=[O:26])[cH:23][cH:24]1>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)[CH2:25][c:22]1[cH:21][cH:20][c:19](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24][cH:23]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 76689(1,1'-Biphenyl)-4-carboxaldehydeHCID 178509242HCID 178509242, compound

Product 1

HCID 211907264-(3-chloro-phenylamino)-3-(4-phenyl-benzylamino)-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-cbcfe95c20b9499f94e94b81fa5ba86b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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